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  1. Third-Parties
  2. MatprojStructure
  3. mp-1191088

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1191088
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 5
  • Element list: ['Rh', 'C', 'N', 'Cl', 'O']
  • Chemical System: C-Cl-N-O-Rh
  • Density: 2.2409885943689414
  • Atomic Density: 0.04780488028546476
  • Unit Cell Volume: 502.04079283715487
  • Molar Volume: 12.597334673863946
  • Full Formula: Rh2 C8 N2 Cl8 O4
  • Reduced Formula: RhC4N(Cl2O)2
  • Formula Anonymous: ABC2D4E4
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -126.78897466
  • Final energy per atom: -5.282873944166666
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.